Dear All, i want to look at systems like R-Mo2-O7 R being rare hearths elements.
the physics of the system should be governed by Mo d levels so probably i can make pseudo-potentials of R even if DFT is not fully working for R. i wanted to ask to have the inputs file of La (is is present in the web page) in order to have a look at them. this would be useful as i`m not really expert in making pseudos. may i have it? is there someone having it? do you have good advices to give me before i start to look at this? thank you in advance. cheers, Gianluca Giovannetti -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100719/2695494e/attachment.htm
